N1-[2-Chloro-5-(trifluoromethyl)phenyl]-2-({[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl}thio)acetamide

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Systematic / IUPAC Name: N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-({[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}sulfanyl)acetamide

ID: Reference5556

Other Names: Acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}thio)-

Formula: C17H16ClF3N2O3S

Spectral Data

N1-[2-Chloro-5-(trifluoromethyl)phenyl]-2-({[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl}thio)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 233
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 9:17:35 AM
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Identificators

InChI InChI=1S/C17H16ClF3N2O3S/c1-9-16(26)12(6-24)10(5-22-9)7-27-8-15(25)23-14-4-11(17(19,20)21)2-3-13(14)18/h2-5,24,26H,6-8H2,1H3,(H,23,25)
InChI Key RVVFEWHFBIRZKL-UHFFFAOYSA-N
Canonical SMILES CC1=NC=C(C(=C1O)CO)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
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Other Names Acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}thio)-

In Other Databases

ChemSpider 2075975
ChEMBL CHEMBL1705236
PubChem 2797162